Basic information
- CAS
5454-47-7- Standard SMILES
CC(C)C(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1- InChIKey
YZICPWYLCGQURQ-UHFFFAOYSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Names & identifiers
- Preferred name
- 4-(2,4,4-Trimethylpentan-2-yl)phenyl 2-methylpropanoate
- IUPAC
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-methylpropanoate
- English name
- [4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-methylpropanoate
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
5454-47-74-(2,4,4-trimethylpentan-2-yl)phenyl 2-methylpropanoateNSC23073DTXSID00281796NSC-23073Propanoic acid,2-methyl-, 4-(1,1,3,3-tetramethylbutyl)phenyl ester4-(1,1,3,3-Tetramethylbutyl)phenyl 2-methylpropanoate[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2-methylpropanoatePropanoic acid, 2-methyl-, 4-(1,1,3,3-tetramethylbutyl)phenyl ester
Database identifiers
- CAS
5454-47-7- PubChem CID
- 229397
- DTXSID
DTXSID00281796
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 315
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…